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16 similar compounds to monomer 9665

Compile data set for download or QSAR
Wt: 628.8
BDBM3424
Wt: 628.8
BDBM3426
Wt: 578.7
BDBM9660
Wt: 588.7
BDBM9661
Wt: 588.7
BDBM9662
Wt: 650.8
BDBM9663
Wt: 628.8
BDBM9664
Wt: 622.8
BDBM9666
Wt: 636.8
BDBM9667
Wt: 712.9
BDBM9669
Wt: 672.8
BDBM9670
Wt: 598.8
BDBM9671
Wt: 672.8
BDBM9672
Wt: 644.8
BDBM9673
Wt: 757.9
BDBM9675
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 3424,3426,9660,9661,9662,9663,9664,9666,9667,9669,9670,9671,9672,9673,9675   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM9669
PNG
(N-(1-Ethylcyclopentyl)-2-[4-[2-[(2,2-dimethyl[1,3]...)
Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CC1COC(C)(C)OC1)C(C)(C)c1ccccc1
Show InChI InChI=1S/C44H60N2O6/c1-7-44(23-13-14-24-44)45(25-26-47)40(49)38-18-12-11-15-34(38)21-22-37(48)28-35-20-19-32(2)27-39(35)41(50)46(29-33-30-51-43(5,6)52-31-33)42(3,4)36-16-9-8-10-17-36/h8-12,15-20,27,33,37,47-48H,7,13-14,21-26,28-31H2,1-6H3
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4n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...


J Med Chem 39: 2795-811 (1996)


Article DOI: 10.1021/jm960092w
BindingDB Entry DOI: 10.7270/Q2028PRG
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM3424
PNG
(2-[(2R)-4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)...)
Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CC[C@@H](O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)c1ccccc1
Show InChI InChI=1S/C39H52N2O5/c1-5-39(21-11-12-22-39)41(24-26-43)36(45)34-16-10-9-13-30(34)19-20-33(44)28-31-18-17-29(2)27-35(31)37(46)40(23-25-42)38(3,4)32-14-7-6-8-15-32/h6-10,13-18,27,33,42-44H,5,11-12,19-26,28H2,1-4H3/t33-/m1/s1
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4.80 -11.8n/an/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...


Proc Natl Acad Sci U S A 92: 3298-302 (1995)


Article DOI: 10.1073/pnas.92.8.3298
BindingDB Entry DOI: 10.7270/Q2F769RX
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM9666
PNG
(2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...)
Show SMILES CCCC(CC)(CC)N(CCO)C(=O)c1cc(C)ccc1CC(O)CCc1ccccc1C(=O)N(CCO)C1(CC)CCCC1
Show InChI InChI=1S/C38H58N2O5/c1-6-20-37(7-2,8-3)39(23-25-41)36(45)34-27-29(5)16-17-31(34)28-32(43)19-18-30-14-10-11-15-33(30)35(44)40(24-26-42)38(9-4)21-12-13-22-38/h10-11,14-17,27,32,41-43H,6-9,12-13,18-26,28H2,1-5H3
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6n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...


J Med Chem 39: 2795-811 (1996)


Article DOI: 10.1021/jm960092w
BindingDB Entry DOI: 10.7270/Q2028PRG
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM9673
PNG
(2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...)
Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)c1ccc(O)cc1
Show InChI InChI=1S/C39H52N2O6/c1-5-39(20-8-9-21-39)41(23-25-43)36(46)34-11-7-6-10-29(34)14-17-33(45)27-30-13-12-28(2)26-35(30)37(47)40(22-24-42)38(3,4)31-15-18-32(44)19-16-31/h6-7,10-13,15-16,18-19,26,33,42-45H,5,8-9,14,17,20-25,27H2,1-4H3
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6n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...


J Med Chem 39: 2795-811 (1996)


Article DOI: 10.1021/jm960092w
BindingDB Entry DOI: 10.7270/Q2028PRG
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM9664
PNG
(2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...)
Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)c1ccccc1
Show InChI InChI=1S/C39H52N2O5/c1-5-39(21-11-12-22-39)41(24-26-43)36(45)34-16-10-9-13-30(34)19-20-33(44)28-31-18-17-29(2)27-35(31)37(46)40(23-25-42)38(3,4)32-14-7-6-8-15-32/h6-10,13-18,27,33,42-44H,5,11-12,19-26,28H2,1-4H3
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8n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...


J Med Chem 39: 2795-811 (1996)


Article DOI: 10.1021/jm960092w
BindingDB Entry DOI: 10.7270/Q2028PRG
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM9675
PNG
(2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...)
Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C45H63N3O7/c1-5-45(20-8-9-21-45)48(23-28-50)42(52)40-11-7-6-10-35(40)14-17-38(51)33-36-13-12-34(2)32-41(36)43(53)47(22-27-49)44(3,4)37-15-18-39(19-16-37)55-31-26-46-24-29-54-30-25-46/h6-7,10-13,15-16,18-19,32,38,49-51H,5,8-9,14,17,20-31,33H2,1-4H3
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9n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...


J Med Chem 39: 2795-811 (1996)


Article DOI: 10.1021/jm960092w
BindingDB Entry DOI: 10.7270/Q2028PRG
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM9672
PNG
(1-[2-[N-(alpha,alpha-Dimethylbenzyl)-N-(3,4-dihydr...)
Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCC(O)CO)C(C)(C)c1ccccc1
Show InChI InChI=1S/C41H56N2O6/c1-5-41(22-11-12-23-41)43(25-26-44)38(48)36-16-10-9-13-31(36)19-20-34(46)28-32-18-17-30(2)27-37(32)39(49)42(24-21-35(47)29-45)40(3,4)33-14-7-6-8-15-33/h6-10,13-18,27,34-35,44-47H,5,11-12,19-26,28-29H2,1-4H3
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10n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...


J Med Chem 39: 2795-811 (1996)


Article DOI: 10.1021/jm960092w
BindingDB Entry DOI: 10.7270/Q2028PRG
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM9670
PNG
(2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...)
Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CC(CO)CO)C(C)(C)c1ccccc1
Show InChI InChI=1S/C41H56N2O6/c1-5-41(21-11-12-22-41)42(23-24-44)38(48)36-16-10-9-13-32(36)19-20-35(47)26-33-18-17-30(2)25-37(33)39(49)43(27-31(28-45)29-46)40(3,4)34-14-7-6-8-15-34/h6-10,13-18,25,31,35,44-47H,5,11-12,19-24,26-29H2,1-4H3
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10n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...


J Med Chem 39: 2795-811 (1996)


Article DOI: 10.1021/jm960092w
BindingDB Entry DOI: 10.7270/Q2028PRG
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM9663
PNG
(2-(2-hydroxy-4-{2-[(2-hydroxyethyl)(2-phenylpropan...)
Show SMILES Cc1ccc(CC(O)CCc2ccccc2C(=O)N(CCO)C(C)(C)c2ccccc2)c(c1)C(=O)N(CCO)C(C)(C)c1ccccc1
Show InChI InChI=1S/C41H50N2O5/c1-30-20-21-32(37(28-30)39(48)43(25-27-45)41(4,5)34-17-10-7-11-18-34)29-35(46)23-22-31-14-12-13-19-36(31)38(47)42(24-26-44)40(2,3)33-15-8-6-9-16-33/h6-21,28,35,44-46H,22-27,29H2,1-5H3
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18n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...


J Med Chem 39: 2795-811 (1996)


Article DOI: 10.1021/jm960092w
BindingDB Entry DOI: 10.7270/Q2028PRG
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM9667
PNG
(2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...)
Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)C1CCOCC1
Show InChI InChI=1S/C38H56N2O6/c1-5-38(18-8-9-19-38)40(21-23-42)35(44)33-11-7-6-10-29(33)14-15-32(43)27-30-13-12-28(2)26-34(30)36(45)39(20-22-41)37(3,4)31-16-24-46-25-17-31/h6-7,10-13,26,31-32,41-43H,5,8-9,14-25,27H2,1-4H3
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35n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...


J Med Chem 39: 2795-811 (1996)


Article DOI: 10.1021/jm960092w
BindingDB Entry DOI: 10.7270/Q2028PRG
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM9671
PNG
(1-[2-[N-(alpha,alpha-dimethylbenzyl)-N-ethylcarbam...)
Show SMILES CCN(C(=O)c1ccccc1CC(O)CCc1ccccc1C(=O)N(CCO)C1(CC)CCCC1)C(C)(C)c1ccccc1
Show InChI InChI=1S/C38H50N2O4/c1-5-38(24-14-15-25-38)40(26-27-41)36(44)33-20-12-10-16-29(33)22-23-32(42)28-30-17-11-13-21-34(30)35(43)39(6-2)37(3,4)31-18-8-7-9-19-31/h7-13,16-21,32,41-42H,5-6,14-15,22-28H2,1-4H3
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51n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...


J Med Chem 39: 2795-811 (1996)


Article DOI: 10.1021/jm960092w
BindingDB Entry DOI: 10.7270/Q2028PRG
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM9662
PNG
(2-(4-{2-[tert-butyl(2-hydroxyethyl)carbamoyl]pheny...)
Show SMILES Cc1ccc(CC(O)CCc2ccccc2C(=O)N(CCO)C(C)(C)C)c(c1)C(=O)N(CCO)C(C)(C)c1ccccc1
Show InChI InChI=1S/C36H48N2O5/c1-26-16-17-28(32(24-26)34(43)38(21-23-40)36(5,6)29-13-8-7-9-14-29)25-30(41)19-18-27-12-10-11-15-31(27)33(42)37(20-22-39)35(2,3)4/h7-17,24,30,39-41H,18-23,25H2,1-6H3
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63n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...


J Med Chem 39: 2795-811 (1996)


Article DOI: 10.1021/jm960092w
BindingDB Entry DOI: 10.7270/Q2028PRG
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM9660
PNG
(2-(4-{2-[(3aR,7aR)-octahydro-1H-inden-3a-yl(2-hydr...)
Show SMILES CC(C)(C)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)N(CCO)[C@]12CCC[C@H]1CCCC2
Show InChI InChI=1S/C35H50N2O5/c1-34(2,3)36(21-23-38)32(41)30-15-6-4-11-26(30)17-18-29(40)25-27-12-5-7-16-31(27)33(42)37(22-24-39)35-19-9-8-13-28(35)14-10-20-35/h4-7,11-12,15-16,28-29,38-40H,8-10,13-14,17-25H2,1-3H3/t28-,29?,35-/m1/s1
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64 -10.2n/an/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...


J Med Chem 39: 2795-811 (1996)


Article DOI: 10.1021/jm960092w
BindingDB Entry DOI: 10.7270/Q2028PRG
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM9661
PNG
(N-tert-Butyl-N-(2-hydroxyethyl)-4-methyl-2-[3-hydr...)
Show SMILES Cc1ccc(CCC(O)Cc2ccccc2C(=O)N(CCO)C(C)(C)c2ccccc2)c(c1)C(=O)N(CCO)C(C)(C)C
Show InChI InChI=1S/C36H48N2O5/c1-26-16-17-27(32(24-26)34(43)37(20-22-39)35(2,3)4)18-19-30(41)25-28-12-10-11-15-31(28)33(42)38(21-23-40)36(5,6)29-13-8-7-9-14-29/h7-17,24,30,39-41H,18-23,25H2,1-6H3
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150 -9.68n/an/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...


J Med Chem 39: 2795-811 (1996)


Article DOI: 10.1021/jm960092w
BindingDB Entry DOI: 10.7270/Q2028PRG
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM3426
PNG
(2-[(2S)-4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)...)
Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CC[C@H](O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)c1ccccc1
Show InChI InChI=1S/C39H52N2O5/c1-5-39(21-11-12-22-39)41(24-26-43)36(45)34-16-10-9-13-30(34)19-20-33(44)28-31-18-17-29(2)27-35(31)37(46)40(23-25-42)38(3,4)32-14-7-6-8-15-32/h6-10,13-18,27,33,42-44H,5,11-12,19-26,28H2,1-4H3/t33-/m0/s1
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1.40E+3 -8.30n/an/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...


Proc Natl Acad Sci U S A 92: 3298-302 (1995)


Article DOI: 10.1073/pnas.92.8.3298
BindingDB Entry DOI: 10.7270/Q2F769RX
More data for this
Ligand-Target Pair